(E)-2-(1H-benzimidazol-2-yl)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile

Formula:C21H11N3OClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
MolecularFormula	C21H11N3OClF3
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChI	InChI=1S/C21H11ClF3N3O/c22-16-7-5-13(21(23,24)25)10-15(16)19-8-6-14(29-19)9-12(11-26)20-27-17-3-1-2-4-18(17)28-20/h1-10H,(H,27,28)
InChIK	WKXQSLOADGVFRU-UHFFFAOYSA-N
TotalMolweight	413.785
Molweight	413.785
MonoisotopicMass	413.054273
CLogP	5.2149
CLogS	-6.098
H Acceptors	4
H Donors	1
TotalSurfaceArea	296.7
Relative PSA	0.17738
PolarSurfaceArea	65.61
Druglikeness	-9.6817
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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